SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 117, Issue 14, 2002, Pages 6533-6537

Ionized and excited states of ferrocene: Symmetry adapted cluster-configuration-interaction study

(3) Ishimura, Kazuya a Hada, Masahiko a Nakatsuji, Hiroshi a

a KYOTO UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; GROUND STATE; PERTURBATION TECHNIQUES; PHOTOELECTRON SPECTROSCOPY;

ELECTRON CORRELATION EFFECTS; EXCITED STATES; FERROCENE; GAUSSIAN BASIS FUNCTIONS; HARTREE-FOCK CALCULATIONS; IONIZATION ENERGIES; SYMMETRY ADAPTED CLUSTER-CONFIGURATION-INTERACTION METHOD; ULTRAVIOLET-VISIBLE ABSORPTION SPECTRA;

ORGANIC COMPOUNDS;

EID: 0037044513 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1504709 Document Type: Article

Times cited : (39)

References (46)

1
- 33751332303
- T. J. Kealy and P. L. Paulson, Nature (London) 168, 1039 (1951)
- (1951) Nature (London) , vol.168 , pp. 1039
- Kealy, T.J.¹ Paulson, P.L.²

2
- 37049144940
- S. A. Miller, J. A. Tebboth, and J. F. Tremaine, J. Chem. Soc. 1952, 632
- J. Chem. Soc , vol.1952 , pp. 632
- Miller, S.A.¹ Tebboth, J.A.² Tremaine, J.F.³

3
- 0003568278
- edited by H. F. Schaefer III (Plenum, New York)
- A. Veilard and J. Demuynck, in Modern Theoretical Chemistry, edited by H. F. Schaefer III (Plenum, New York, 1997), Vol. 4
- (1997) Modern Theoretical Chemistry , vol.4
- Veilard, A.¹ Demuynck, J.²

4
- 33845561125
- references therein
- A. Haaland, Acc. Chem. Res. 11, 415 (1979), and references therein
- (1979) Acc. Chem. Res , vol.11 , pp. 415
- Haaland, A.¹

5
- 36849138602
- D. R. Scott and R. S. Becker, J. Chem. Phys. 35, 516 (1961)
- (1961) J. Chem. Phys , vol.35 , pp. 516
- Scott, D.R.¹ Becker, R.S.²

6
- 0011315752
- J. J. Smith and B. Meyer, J. Chem. Phys. 48, 5436 (1968)
- (1968) J. Chem. Phys , vol.48 , pp. 5436
- Smith, J.J.¹ Meyer, B.²

7
- 0003066183
- J. C. Green, Struct. Bonding (Berlin) 43, 37 (1981)
- (1981) Struct. Bonding (Berlin) , vol.43 , pp. 37
- Green, J.C.¹

8
- 4043079171
- J. W. Rabalais, L. O. Werme, T. Bergmark, L. Karlsson, M. Hussain, and K. Siegbahn, J. Chem. Phys. 57, 1185 (1972)
- (1972) J. Chem. Phys , vol.57 , pp. 1185
- Rabalais, J.W.¹ Werme, L.O.² Bergmark, T.³ Karlsson, L.⁴ Hussain, M.⁵ Siegbahn, K.⁶

9
- 37049142388
- S. Evans, M. L. H. Green, B. Jewitt, A. F. Orchard, and C. F. Pygall, J. Chem. Soc., Faraday Trans. 2 68, 1847 (1972)
- (1972) J. Chem. Soc., Faraday Trans. 2 , vol.68 , pp. 1847
- Evans, S.¹ Green, M.L.H.² Jewitt, B.³ Orchard, A.F.⁴ Pygall, C.F.⁵

10
- 0000974648
- A. T. Armstrong, F. Smith, E. Elder, and S. P. McGlynn, J. Chem. Phys. 46, 4321 (1967)
- (1967) J. Chem. Phys , vol.46 , pp. 4321
- Armstrong, A.T.¹ Smith, F.² Elder, E.³ McGlynn, S.P.⁴

11
- 33947293342
- Y. S. Sohn, D. N. Hendrickson, and H. B. Gray, J. Am. Chem. Soc. 93, 3603 (1971)
- (1971) J. Am. Chem. Soc , vol.93 , pp. 3603
- Sohn, Y.S.¹ Hendrickson, D.N.² Gray, H.B.³

12
- 33748855338
- J. W. Lauher and R. Hoffmann, J. Am. Chem. Soc. 98, 1729 (1976)
- (1976) J. Am. Chem. Soc , vol.98 , pp. 1729
- Lauher, J.W.¹ Hoffmann, R.²

13
- 0034321270
- M. J. Mayor-Lopez, H. P. Lüthi, H. Koch, P. Y. Morgantini, and J. Weber, J. Chem. Phys. 113, 8009 (2000)
- (2000) J. Chem. Phys , vol.113 , pp. 8009
- Mayor-Lopez, M.J.¹ Lüthi, H.P.² Koch, H.³ Morgantini, P.Y.⁴ Weber, J.⁵

14
- 0000529442
- M.-M. Coutiere, J. Demuynck, and A. Veillard, Theor. Chim. Acta 27, 281 (1972)
- (1972) Theor. Chim. Acta , vol.27 , pp. 281
- Coutiere, M.-M.¹ Demuynck, J.² Veillard, A.³

15
- 0001002238
- P. S. Bagus, U. I. Walgren, and J. Almlöf, J. Chem. Phys. 64, 2324 (1976)
- (1976) J. Chem. Phys , vol.64 , pp. 2324
- Bagus, P.S.¹ Walgren, U.I.² Almlöf, J.³

16
- 0000651083
- E. J. Baerends and P. Ross, Chem. Phys. Lett. 23, 391 (1973)
- (1973) Chem. Phys. Lett , vol.23 , pp. 391
- Baerends, E.J.¹ Ross, P.²

17
- 0000373911
- N. Röcsh and K. H. Johnson, Chem. Phys. Lett. 24, 179 (1974)
- (1974) Chem. Phys. Lett , vol.24 , pp. 179
- Röcsh, N.¹ Johnson, K.H.²

18
- 0011348396
- M. C. Böhm, Z. Naturforsch. A 37A, 1193 (1982)
- (1982) Z. Naturforsch. A , vol.37 A , pp. 1193
- Böhm, M.C.¹

19
- 0002517601
- M. Ohno, W. von Niessen, and J. Schüle, Chem. Phys. 158, 1 (1991)
- (1991) Chem. Phys , vol.158 , pp. 1
- Ohno, M.¹ Von Niessen, W.² Schüle, J.³

20
- 0001605713
- M.-M. Rohmer, A. Veillard, and M. H. Wood, Chem. Phys. Lett. 29, 466 (1974)
- (1974) Chem. Phys. Lett , vol.29 , pp. 466
- Rohmer, M.-M.¹ Veillard, A.² Wood, M.H.³

21
- 33847086509
- M. C. Zerner, G. H. Loew, R. F. Kirchner, and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980)
- (1980) J. Am. Chem. Soc , vol.102 , pp. 589
- Zerner, M.C.¹ Loew, G.H.² Kirchner, R.F.³ Mueller-Westerhoff, U.T.⁴

22
- 36749111718
- H. Nakatsuji and K. Hirao, J. Chem. Phys. 68, 2053 (1978)
- (1978) J. Chem. Phys , vol.68 , pp. 2053
- Nakatsuji, H.¹ Hirao, K.²

23
- 24244434365
- H. Nakatsuji, Chem. Phys. Lett. 59, 362 (1978)
- (1978) Chem. Phys. Lett , vol.59 , pp. 362
- Nakatsuji, H.¹

24
- 4243215242
- H. Nakatsuji, Chem. Phys. Lett. 67, 329 (1979);
- (1979) Chem. Phys. Lett , vol.67 , pp. 329
- Nakatsuji, H.¹

25
- 4243872973
- H. Nakatsuji, Chem. Phys. Lett. 67, 334, (1979)
- (1979) Chem. Phys. Lett , vol.67 , pp. 334
- Nakatsuji, H.¹

26
- 0001570873
- H. Nakatsuji, Acta Chim. Hung. 129, 719 (1992)
- (1992) Acta Chim. Hung , vol.129 , pp. 719
- Nakatsuji, H.¹

27
- 0001432941
- H. Nakatsuji, J. Hasegawa, and M. Hada, J. Chem. Phys. 104, 2321 (1996)
- (1996) J. Chem. Phys , vol.104 , pp. 2321
- Nakatsuji, H.¹ Hasegawa, J.² Hada, M.³

28
- 0030836199
- K. Toyota, J. Hasegawa, and H. Nakatsuji, J. Phys. Chem. A 101, 446 (1997)
- (1997) J. Phys. Chem. A , vol.101 , pp. 446
- Toyota, K.¹ Hasegawa, J.² Nakatsuji, H.³

29
- 0000682118
- M. Hada, Y. Imai, M. Hidaka, and H. Nakatsuji, J. Chem. Phys. 103, 6993 (1995)
- (1995) J. Chem. Phys , vol.103 , pp. 6993
- Hada, M.¹ Imai, Y.² Hidaka, M.³ Nakatsuji, H.⁴

30
- 0000976198
- H. Nakai, Y. Ohmori, and H. Nakatsuji, J. Chem. Phys. 95, 8287 (1991)
- (1991) J. Chem. Phys , vol.95 , pp. 8287
- Nakai, H.¹ Ohmori, Y.² Nakatsuji, H.³

31
- 36449000896
- H. Nakatsuji, M. Ehara, M. H. Palmer, and M. F. Guest, ibid. 97, 2561 (1992)
- (1992) J. Chem. Phys , vol.97 , pp. 2561
- Nakatsuji, H.¹ Ehara, M.² Palmer, M.H.³ Guest, M.F.⁴

32
- 0011353811
- K. Yasuda and H. Nakatsuji, ibid. 99, 1945 (1993)
- (1993) J. Chem. Phys , vol.99 , pp. 1945
- Yasuda, K.¹ Nakatsuji, H.²

33
- 85008371547
- H. Nakai and H. Nakatsuji, J. Mol. Struct.: THEOCHEM 331, 141 (1994)
- (1994) J. Mol. Struct.: THEOCHEM , vol.331 , pp. 141
- Nakai, H.¹ Nakatsuji, H.²

34
- 36449008641
- S. Jitsuhiro, H. Nakai, M. Hada, and H. Nakatsuji, J. Chem. Phys. 101, 1029 (1994)
- (1994) J. Chem. Phys , vol.101 , pp. 1029
- Jitsuhiro, S.¹ Nakai, H.² Hada, M.³ Nakatsuji, H.⁴

35
- 0000344642
- H. Nakatsuji and M. Ehara, ibid. 101, 7658 (1994)
- (1994) J. Chem. Phys , vol.101 , pp. 7658
- Nakatsuji, H.¹ Ehara, M.²

36
- 0003718311
- (Elsevier, Amsterdam)
- S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, and H. Tatewaki, Gaussian Basis Sets for Molecular Calculations (Elsevier, Amsterdam, 1984)
- (1984) Gaussian Basis Sets for Molecular Calculations
- Huzinaga, S.¹ Andzelm, J.² Klobukowski, M.³ Radzio-Andzelm, E.⁴ Sakai, Y.⁵ Tatewaki, H.⁶

37
- 28944448300
- T. H. Dunning, Jr., J. Chem. Phys. 53, 2823 (1970)
- (1970) J. Chem. Phys , vol.53 , pp. 2823
- Dunning, T.H.¹

38
- 10144223417
- P. J. Hay, J. Chem. Phys. 66, 4377 (1977)
- (1977) J. Chem. Phys , vol.66 , pp. 4377
- Hay, P.J.¹

39
- 4243540796
- R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P. O. Widmark, and B. Roos, Theor. Chim. Acta 92, 149 (1995)
- (1995) Theor. Chim. Acta , vol.92 , pp. 149
- Pou-Amerigo, R.¹ Merchan, M.² Nebot-Gil, I.³ Widmark, P.O.⁴ Roos, B.⁵

40
- 0004067957
- (Plenum, New York and London)
- H. F. Schaefer, III, Methods of Electronic Structure Theory (Plenum, New York and London)
- Methods of Electronic Structure Theory
- Schaefer, H.F.¹

41
- 0011352432
- R. K. Bohn and A. Haaland, J. Organomet. Chem. 5, 2653 (1968)
- (1968) J. Organomet. Chem , vol.5 , pp. 2653
- Bohn, R.K.¹ Haaland, A.²

42
- 0000535839
- A. Haaland and J. E. Nilsson, Acta Chem. Scand. (1947-1973) 22, 2653 (1968)
- (1968) Acta Chem. Scand. (1947-1973) , vol.22 , pp. 2653
- Haaland, A.¹ Nilsson, J.E.²

43
- 37049119729
- A. Haaland, J. Lusztyk, D. P. Novak, J. Brunvoll, and K. B. Starowieyski, J. Chem. Soc. Chem. Commun. 1974, 54 (1974)
- (1974) J. Chem. Soc. Chem. Commun , vol.1974 , pp. 54
- Haaland, A.¹ Lusztyk, J.² Novak, D.P.³ Brunvoll, J.⁴ Starowieyski, K.B.⁵

44
- 0003861608
- (Interscience, New York), Chap. 3
- M. Orsenblum, Chemistry of Iron Group Metallocenes (Interscience, New York, 1965), Chap. 3, Part I
- (1965) Chemistry of Iron Group Metallocenes
- Orsenblum, M.¹

45
- 84964933682
- Gaussian, Inc., Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.8, Gaussian, Inc., Pittsburgh, PA, 1998
- (1998) GAUSSIAN 98, Revision A.8
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

46
- 0000515172
- H. Nakatsuji, Chem. Phys. 75, 425 (1983)
- (1983) Chem. Phys , vol.75 , pp. 425
- Nakatsuji, H.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.